COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046282
Chemical Name: (E)-{2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 452.55
Empirical Formula: C26H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.227
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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